(+)-Atherospermoline
TL;DR: (+)-Atherospermoline (CAS 21008-67-3) is a chemical compound with molecular formula C36H38N2O6 and molecular weight 594.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,14S)-20,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene-9,21-diol
Also Known As: Atherospermoline, (+)-Atherospermoline, Obamegine, 6,6'-Dimethoxy-2,2'-dimethyl-1beta-berbaman-7,12-diol, (1S)-6,6 -Dimethoxy-2,2 -dimethylberbaman-7,12-diol
| Molecular Formula | C36H38N2O6 |
|---|---|
| Molecular Weight | 594.27 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 594.273 |
| Heavy Atoms | 44 |
| Complexity | 948.0 |
Chemical Identifiers
| CAS Number | 21008-67-3 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC |
| InChIKey | XGEAUXVPBXUBKN-NSOVKSMOSA-N |
Product Overview
(+)-Atherospermoline (CAS 21008-67-3), with molecular formula C36H38N2O6 and molecular weight 594.27 g/mol. IUPAC: (1S,14S)-20,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene-9,21-diol.
Chemical Property Profile of (+)-Atherospermoline
Property Insights of (+)-Atherospermoline
The XLogP value of 5.7 indicates that (+)-Atherospermoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Atherospermoline. Following Lipinski's Rule of Five, (+)-Atherospermoline has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (+)-Atherospermoline?
The CAS number of (+)-Atherospermoline is 21008-67-3.
What is the molecular formula of (+)-Atherospermoline?
The molecular formula of (+)-Atherospermoline is C36H38N2O6.
What is the molecular weight of (+)-Atherospermoline?
The molecular weight of (+)-Atherospermoline is 594.27 g/mol.
Where can I buy (+)-Atherospermoline?
You can request a quote for (+)-Atherospermoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Atherospermoline?
Yes, KEHONG BIO provides custom synthesis services for (+)-Atherospermoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.